Molecular Identity
Triamcinolone Hexacetonide
[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate
PubChem CID: 21826
Triamcinolone hexacetonide is a corticosteroid hormone.
2D Structure
Properties
C30H41FO7
Molecular Formula
532.60
Molecular Weight
g/mol
532.2836
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
99.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
1130
Complexity
SMILES
Canonical SMILES
SMILES: CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)COC(=O)CC(C)(C)C)C)O)F)C)CIsomeric SMILES
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)CC(C)(C)C)CCC5=CC(=O)C=C[C@@]53C)F)OSynonyms(20)
TRIAMCINOLONE HEXACETONIDE5611-51-8AristospanTATBALederspanDTXSID0048634CL 34433I7GT1U99Y9HexatrioneDTXCID7028560Pregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-(11beta,16alpha)-21-(3,3-Dimethyl-1-oxobutoxy)-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))pregna-1,4-diene-3,20-dione(11beta,16alpha)-21-(3,3-Dimethyl-1-oxobutoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dioneHexatrione 2%Pregna-1,4-diene-3,20-dione,21-(3,3-dimethyl-1-oxobutoxy)-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-,(11b,16a)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Triamcinolone Hexacetonide
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